[(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine

C22H23N3OS — CID 174306822

IUPAC[(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine
SMILESCSc1ccc(/C(N)=c2\ccccc2=C(N)N)c(OCc2ccccc2)c1
InChIInChI=1S/C22H23N3OS/c1-27-16-11-12-19(20(13-16)26-14-15-7-3-2-4-8-15)21(23)17-9-5-6-10-18(17)22(24)25/h2-13H,14,23-25H2,1H3/b21-17-
InChIKeyFTAHOSUYSIHYJO-FXBPSFAMSA-N
MW377.51 g/mol
LogP2.09
Rot. Bonds5

About [(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine

[(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine (PubChem CID 174306822) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is [(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine.

Molecular Properties

Compound Name[(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine
PubChem CID174306822
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name[(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine
SMILESCSc1ccc(/C(N)=c2\ccccc2=C(N)N)c(OCc2ccccc2)c1
InChIInChI=1S/C22H23N3OS/c1-27-16-11-12-19(20(13-16)26-14-15-7-3-2-4-8-15)21(23)17-9-5-6-10-18(17)22(24)25/h2-13H,14,23-25H2,1H3/b21-17-
InChIKeyFTAHOSUYSIHYJO-FXBPSFAMSA-N
XLogP2.09
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,4,5,5-tetramethyl-2-(4-methylsulfanyl-2-phenylmethoxyphenyl)-1,3,2-dioxaborolane
CID 166456071
2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene
CID 126677080
benzyl 4-benzylsulfanyl-2-phenylmethoxybenzoate
CID 10813010
methyl 2-hydroxy-4-[2-(5-methylsulfanyl-2-phenylmethoxyphenyl)ethenyl]benzoate
CID 54041091
2,4-bis(phenylmethoxy)-1-prop-1-en-2-ylbenzene
CID 24773359
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
4-[(Z)-3-(5-methylsulfanyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoic acid
CID 70346049
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 2902948
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
benzyl 4-bromo-5-fluoro-2-phenylmethoxybenzoate
CID 122458122

Frequently Asked Questions

What is the IUPAC name of [(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine?
The IUPAC name of [(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine (CID 174306822) is [(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine.
What is the SMILES notation for [(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine?
The canonical SMILES for [(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine is CSc1ccc(/C(N)=c2\ccccc2=C(N)N)c(OCc2ccccc2)c1.
What is the InChIKey of [(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine?
The InChIKey is FTAHOSUYSIHYJO-FXBPSFAMSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-27-16-11-12-19(20(13-16)26-14-15-7-3-2-4-8-15)21(23)17-9-5-6-10-18(17)22(24)25/h2-13H,14,23-25H2,1H3/b21-17-.
What are the key properties of [(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine?
[(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine has a molecular weight of 377.51 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z)-6-[amino-(4-methylsulfanyl-2-phenylmethoxyphenyl)methylidene]cyclohexa-2,4-dien-1-ylidene]methanediamine is sourced from PubChem (CID 174306822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).